N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide

C20H18ClN3O3 — CID 23938739

IUPACN-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
SMILESNCc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H18ClN3O3/c21-16-8-7-15(10-17(16)24-20(26)18-2-1-9-27-18)19(25)23-12-14-5-3-13(11-22)4-6-14/h1-10H,11-12,22H2,(H,23,25)(H,24,26)
InChIKeyFDAGEYIBEQKSBO-UHFFFAOYSA-N
MW383.84 g/mol
LogP3.57
Rot. Bonds6

About N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide

N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide (PubChem CID 23938739) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
PubChem CID23938739
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide
SMILESNCc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1
InChIInChI=1S/C20H18ClN3O3/c21-16-8-7-15(10-17(16)24-20(26)18-2-1-9-27-18)19(25)23-12-14-5-3-13(11-22)4-6-14/h1-10H,11-12,22H2,(H,23,25)(H,24,26)
InChIKeyFDAGEYIBEQKSBO-UHFFFAOYSA-N
XLogP3.57
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(3-chlorophenyl)methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 51158750
N-[2-methyl-5-[(3-methylphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 33279792
N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 46671768
N-[5-[[4-(difluoromethoxy)phenyl]methylcarbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 42007354
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]furan-2-carboxamide
CID 6490902
N-[[4-(aminomethyl)phenyl]methyl]-3-chloro-4-fluorobenzamide
CID 82880028
N-[4-[(4-acetamidophenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 24628897
N-[[4-(aminomethyl)phenyl]methyl]-3-benzamido-4-methylbenzamide
CID 23968860
1-N-benzyl-3-N-(2-chlorophenyl)benzene-1,3-dicarboxamide
CID 109054143
4-(aminomethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]benzamide
CID 103796375
N-[2-methyl-5-[[4-(1,2,4-triazol-1-yl)phenyl]methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55795833
N-[5-[(2-amino-2-methylpropyl)carbamoyl]-2-methylphenyl]furan-2-carboxamide
CID 119625719

Frequently Asked Questions

What is the IUPAC name of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide?
The IUPAC name of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide (CID 23938739) is N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide.
What is the SMILES notation for N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide?
The canonical SMILES for N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide is NCc1ccc(CNC(=O)c2ccc(Cl)c(NC(=O)c3ccco3)c2)cc1.
What is the InChIKey of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide?
The InChIKey is FDAGEYIBEQKSBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-16-8-7-15(10-17(16)24-20(26)18-2-1-9-27-18)19(25)23-12-14-5-3-13(11-22)4-6-14/h1-10H,11-12,22H2,(H,23,25)(H,24,26).
What are the key properties of N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide?
N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 3.57, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[4-(aminomethyl)phenyl]methylcarbamoyl]-2-chlorophenyl]furan-2-carboxamide is sourced from PubChem (CID 23938739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).